N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-morpholino-5-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N4O4S/c1-16-18(25-27-21-6-2-3-8-23(21)34-25)5-4-7-20(16)26-24(30)19-15-17(29(31)32)9-10-22(19)28-11-13-33-14-12-28/h2-10,15H,11-14H2,1H3,(H,26,30)